Drug Design                

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GAMESS

Analyzing accurate electron density distribution and interaction energy              



MOE    

Integrating molecular modeling and drug design


Derek

Predicting toxicity of novel compound








Meteor

Predicting metabolism fate of compound


Small Molecules Databases          

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DrugBank

Combining detailed drug data with   comprehensive drug target



Traditional  Chinese Medicine Database

Providing new information on traditional Chinese medicine researches







Protein Target Databases              

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Protein Data Bank

Repositing 3D structures of large     biological molecules



Universal Protein Resource

Offering protein sequences and functional data







Pathway Databases            

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KEGG

Collecting genomes, enzymatic path-ways and biological chemicals data



NCI-Nature Pathway Interaction Database

Containing information about molecular interactions and reactions in cells







Pharmacology Associated Databases                

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ChEMBL

Computing data mining, contrasting and standardizing publications




Therapeutic Target Database    

Providing all information about known and explored therapeutic protein and nucleic acid targets


PharmGKB

Curating impact of genetic variation on drug response




PDTD

Focusing on drug targets with known 3D-structures



SIDER

Collecting data on marketed drugs   and their recorded adverse reactions